Description

2-Fluoro-5-methylbenzoic acid (CAS No. 321-12-0) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₇FO₂. This fine chemical is extensively utilized in pharmaceutical and agrochemical research due to its versatile reactivity and structural properties. With a purity of ≥99%, it serves as a critical intermediate in organic synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and specialty chemicals. The compound features a fluorine substituent at the 2-position and a methyl group at the 5-position of the benzoic acid ring, enhancing its electron-withdrawing characteristics and making it valuable for regioselective reactions. Packaged under inert conditions to ensure stability, this product is ideal for researchers requiring consistent quality for sensitive applications.

Properties

• CAS Number: 321-12-0
• Complexity: 158
• IUPAC Name: 2-fluoro-5-methyl-benzoic acid
• InChI: InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: UREMNBHWTNQTMS-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC1=CC(=C(C=C1)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 2-Fluoro-5-methylbenzoic acid, 321-12-0, DTXSID40287616, DTXCID40238764, 630-028-4, inchi=1/c8h7fo2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4h,1h3,(h,10,11, 2-Fluoro-5-methylbenzoicacid, 6-Fluoro-m-toluic Acid, 2-Fluoro-5-Methyl-Benzoic Acid, MFCD00092819, 2-Fluoro-5-methyl benzoic acid, NSC51779, SCHEMBL87104, SCHEMBL18547238, 2-?Fluoro-?5-?methylbenzoic acid, NSC-51779, SBB062994, 2-Fluoro-5-methylbenzoic acid, 99%, AKOS000298676, AC-3976, CS-W019919, FS-1346, SY016924, DB-005243, F0426, ST51038260, EN300-64143, Z732710380

2-Fluoro-5-methylbenzoic acid is widely employed as a building block in medicinal chemistry for synthesizing fluorinated drug candidates. Its electron-deficient aromatic ring facilitates cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex bioactive molecules. Additionally, it serves as a precursor in agrochemical research for developing herbicides and fungicides. The compound’s stability under acidic conditions makes it suitable for carboxylate-directed functionalization in organic synthesis.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (90%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.